Crystallography Open Database

Information card for entry 1574219

Preview

Coordinates	1574219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 N2 O4
Calculated formula	C24 H30 N2 O4
Title of publication	Diastereoselective 1,3-nitrooxygenation of bicyclo[1.1.0]butanes
Authors of publication	Maity, Anirban; Balanna, Kuruva; Daniliuc, Constantin G.; Studer, Armido
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	17
Pages of publication	7264 - 7269
a	8.4366 ± 0.0002 Å
b	11.2441 ± 0.0002 Å
c	22.9481 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2176.9 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300577 (current)	2025-07-06	cif/ Updating files of 1574219 Original log message: Adding full bibliography for 1574219.cif.	1574219.cif
298578	2025-03-26	cif/ Adding structures of 1574219 via cif-deposit CGI script.	1574219.cif